Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1863286 | Physics Letters A | 2011 | 4 Pages |
We have studied the structure, electronic and magnetic properties of wurtzite (WZ) ZnS semiconductor doped with one or two C atoms using first-principles calculations. The moderate formation energy implied that C-doped ZnS could be fabricated experimentally. The total magnetic moment of the 72 atom super cell was 2.02μB2.02μB, mainly due to the 2p component of the C atom. Electronic structures showed ZnS doped with C atom was p-type half-metallic ferromagnetic (FM) semiconductor and hole mediation was responsible for the ferromagnetism. The large energy difference (154 meV) between the FM and antiferromagnetic (AFM) state implied room-temperature ferromagnetism for C-doped WZ ZnS, which has great potential in spintronic devices.
► The magnetic moment of the 72-atom supercell is 2.02μB2.02μB. ► Electronic structures show C-doped ZnS is half-metallic ferromagnetic semiconductor. ► Calculations indicate C-doped ZnS has room-temperature ferromagnetism.